9NSX

OXA-23-NA-1-157, 3 minute soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 42 21 2
Unit cell lengths	82.982, 82.982, 84.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.820 - 1.570
R-factor	0.1814
Rwork	0.180
R-free	0.20540
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.820	1.600
High resolution limit [Å]	1.570	1.570
Rmeas	0.065
Rpim	0.018	0.371
Number of reflections	42061	2031
<I/σ(I)>	21.4	1.8
Completeness [%]	99.9
Redundancy	13
CC(1/2)	1.000	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M lithium sulfate, 0.1 M HEPES, pH 7.5, 25% PEG3350